N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C25H26N6O2S — CID 118139268

IUPACN-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C25H26N6O2S/c1-15-10-17(21-6-8-26-25(30-21)29-19-12-27-31(3)13-19)4-5-20(15)16(2)28-24(32)23-11-18-14-33-9-7-22(18)34-23/h4-6,8,10-13,16H,7,9,14H2,1-3H3,(H,28,32)(H,26,29,30)
InChIKeyZULJFQZSQMNXSM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.55
Rot. Bonds6

About N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139268) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID118139268
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C25H26N6O2S/c1-15-10-17(21-6-8-26-25(30-21)29-19-12-27-31(3)13-19)4-5-20(15)16(2)28-24(32)23-11-18-14-33-9-7-22(18)34-23/h4-6,8,10-13,16H,7,9,14H2,1-3H3,(H,28,32)(H,26,29,30)
InChIKeyZULJFQZSQMNXSM-UHFFFAOYSA-N
XLogP4.55
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139268) is N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is ZULJFQZSQMNXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-15-10-17(21-6-8-26-25(30-21)29-19-12-27-31(3)13-19)4-5-20(15)16(2)28-24(32)23-11-18-14-33-9-7-22(18)34-23/h4-6,8,10-13,16H,7,9,14H2,1-3H3,(H,28,32)(H,26,29,30).
What are the key properties of N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).